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123418-68-8 | "1-(4,5-dichlorothiophen-3-yl)ethan-1-one"
CAS No: 123418-68-8 Catalog No: AG01FMYG MDL No:MFCD08694667
Product Description
Catalog Number:
AG01FMYG
Chemical Name:
"1-(4,5-dichlorothiophen-3-yl)ethan-1-one"
CAS Number:
123418-68-8
Molecular Formula:
C6H4Cl2OS
Molecular Weight:
195.0664
MDL Number:
MFCD08694667
IUPAC Name:
1-(4,5-dichlorothiophen-3-yl)ethanone
InChI:
InChI=1S/C6H4Cl2OS/c1-3(9)4-2-10-6(8)5(4)7/h2H,1H3
InChI Key:
NRBOGORUAFNTIF-UHFFFAOYSA-N
SMILES:
CC(=O)c1csc(c1Cl)Cl
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.936g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.057g/mol
Monoisotopic Mass:
193.936g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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